NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.5347 8.3293 118.3641 60.3814 28.4421 172.5523 3 S 4.6023 8.3046 118.0147 57.2819 64.4177 177.3001 *4 F 4.1762 9.4492 123.9994 60.5747 40.5410 176.6154 5 E 4.0677 8.8051 116.3243 56.6261 27.7181 185.0000 6 S 3.1985 8.9423 113.8173 60.2413 65.8239 173.0166 7 L 4.0450 7.9111 126.6496 59.8659 40.7800 182.0229 8 V 3.6706 8.4204 118.6948 66.1569 31.5496 177.9556 9 D 4.4034 8.1005 120.5954 58.0593 40.5774 179.0879 10 Q 4.2773 8.4824 119.9067 59.1868 28.3131 179.8082 11 R 4.4777 7.2722 117.5153 59.8440 30.7081 177.5117 12 I 3.8253 8.0275 121.9015 65.3195 36.8379 179.3594 13 K 4.6573 8.8923 127.4535 58.3645 32.5409 180.0594 14 E 4.6034 8.8361 114.8208 57.8890 33.0585 179.4804 15 A 4.1977 7.2142 118.7503 53.0215 19.0043 178.6263 16 L 4.2520 7.7735 121.8310 58.1468 42.5856 178.7381 17 S 4.3187 8.0295 115.6363 60.9819 62.7727 176.0178 18 R 4.1486 7.7803 117.7937 57.8341 29.5952 182.4994 19 Q 4.0317 7.8039 118.4824 57.2080 29.0587 176.3356 20 E 4.4546 8.5255 119.0317 53.6181 30.0585 171.8363 21 P 4.4825 0.0000 0.0000 61.2235 32.0961 177.1053 22 K 4.3382 8.3654 121.8499 56.5670 33.2005 176.1267 23 T 4.8229 8.0346 109.4036 59.8160 72.5592 173.3701 24 I 4.3191 8.3387 123.2810 61.7095 38.3328 175.5823 25 S 4.6146 8.9752 119.6388 56.9868 65.4819 172.2076 26 C 5.5755 8.6537 123.4231 55.9267 39.3502 172.7214 27 T 4.5724 8.8095 113.4373 61.6789 70.8119 172.3464 28 S 5.2739 8.5791 121.3692 56.9695 65.8379 173.7386 29 V 4.4937 8.6930 121.3163 61.5918 34.7840 174.3848 30 T 5.2595 8.5390 123.0481 62.1078 71.8518 173.3553 31 S 4.9530 9.3537 121.8085 56.4267 67.6083 173.9245 32 S 4.7038 8.8024 117.0794 58.7540 63.6672 175.7519 33 G 3.7982 9.0583 108.0225 46.6126 0.0000 175.2176 34 R 4.6469 8.4305 119.5852 55.6044 31.1432 175.2262 35 L 5.8716 8.2808 117.1555 52.7578 45.6830 175.8246 36 A 4.7267 8.4439 123.1626 50.7418 22.7690 174.9595 37 S 5.2025 8.5560 117.6265 56.6687 66.0287 174.8009 38 C 4.6588 8.9322 122.4678 55.7356 36.9487 172.1832 39 P 4.3779 0.0000 0.0000 62.4043 31.5871 175.8895 40 A 4.2048 8.2694 123.8789 53.5755 18.8522 177.8707 41 G 4.0219 9.0435 109.1556 44.9347 0.0000 173.3105 42 M 4.8618 7.4253 118.7285 53.6077 34.2666 176.4778 43 V 4.1072 8.8330 116.7211 60.7787 33.8814 175.0404 44 V 4.7158 8.2228 122.7226 62.1722 31.9635 175.5165 45 T 4.5053 8.5473 117.6457 61.9473 70.7272 173.9752 46 G 3.9219 7.2114 107.6619 46.0899 0.0000 172.7265 47 C 5.2384 7.4003 115.8000 54.7024 45.2902 173.5864 48 A 5.0197 8.8363 121.8654 50.5737 22.3294 174.5591 49 C 4.5558 8.5037 115.6283 54.6219 41.0025 174.3236 50 G 3.0175 6.4425 108.4881 45.3664 0.0000 173.2680 51 Y 3.2624 9.2559 113.4141 58.2607 35.3236 170.6503 52 G 3.8476 8.0683 105.3915 46.6725 0.0000 174.8150 53 C 4.4889 8.1365 120.8789 55.3890 43.2343 172.9913 54 G 3.9980 8.6416 115.3352 45.4557 0.0000 172.4426 55 S 4.5772 7.8331 117.4155 56.6974 63.8645 173.1219 56 W 5.9300 7.7475 121.1038 55.2440 31.7641 173.5233 57 D 4.9770 9.2236 117.7484 52.5240 42.5677 174.0668 58 I 4.9816 8.5107 120.7453 60.0747 38.7136 175.2983 59 R 4.5495 8.6073 125.3236 54.6170 33.6565 175.5754 60 N 4.4026 8.7979 119.5833 56.5976 35.6972 174.2040 61 G 4.0999 8.3668 101.5431 47.1319 0.0000 173.4684 62 N 5.1010 8.9012 116.2375 52.8937 39.8336 173.7896 63 T 4.9366 7.8037 115.9269 62.4564 72.4834 172.6020 64 C 4.6407 9.8108 126.5529 57.1392 36.6827 172.5337 65 H 5.2122 9.1781 125.8585 54.4384 30.4146 172.7413 66 C 4.8274 8.6079 123.9018 56.4537 40.7699 173.7875 67 Q 4.5065 8.3158 120.1706 56.2643 29.4080 174.9644 68 C 4.6241 8.1066 117.7599 56.6107 41.9480 173.8496 69 S 4.1152 8.5207 115.8854 61.6279 62.4777 175.0239 70 V 4.0499 6.9966 118.5932 61.6373 32.8419 174.7490 71 M 3.9017 7.3596 121.0230 54.5438 34.9798 173.6649 72 D 5.0386 8.2446 124.1932 53.8839 42.9232 175.3135 73 W 5.6652 7.6036 113.3832 54.7093 32.0925 173.6512 74 A 5.2911 9.6441 121.8962 50.3685 22.5361 175.2237 75 S 5.3230 9.3823 114.5341 56.6715 66.4882 172.7287 76 A 4.7770 9.0459 124.9600 50.3905 21.4080 175.5103 77 R 4.7626 8.5667 122.3500 55.0294 32.1977 174.3454 78 C 5.5293 9.4859 123.7628 55.4427 41.0121 172.5132 79 C 5.7106 9.6743 122.8632 56.1493 44.4122 173.7897 80 R 5.0215 8.5834 119.6162 55.9807 34.0844 174.7154 81 M 4.8409 8.4555 117.9275 55.1868 33.9397 176.4292 82 A 4.1990 8.5277 123.3400 52.6243 19.9033 176.0767 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 C 8.33 4.53 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.30 4.60 0.00 4.04 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 F 9.45 4.18 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.81 4.07 0.00 1.89 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.86 0.00 6 S 8.94 3.20 0.00 3.93 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.91 4.05 0.00 1.65 1.71 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.42 3.67 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.98 0.00 0.00 9 D 8.10 4.40 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.48 4.28 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 11 R 7.27 4.48 0.00 2.04 2.19 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 12 I 8.03 3.83 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.91 0.00 0.00 13 K 8.89 4.66 0.00 1.81 1.68 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 14 E 8.84 4.60 0.00 1.81 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 15 A 7.21 4.20 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.77 4.25 0.00 1.90 1.69 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.03 4.32 0.00 4.09 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.78 4.15 0.00 1.83 1.84 0.00 3.27 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 19 Q 7.80 4.03 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 20 E 8.53 4.45 0.00 1.98 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 21 P 0.00 4.48 0.00 2.03 2.01 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 22 K 8.37 4.34 0.00 2.01 1.74 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.44 0.99 7.81 23 T 8.03 4.82 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 24 I 8.34 4.32 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.54 0.91 0.00 0.00 25 S 8.98 4.61 0.00 3.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.65 5.58 0.00 2.85 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.81 4.57 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 28 S 8.58 5.27 0.00 3.74 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.69 4.49 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 30 T 8.54 5.26 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 31 S 9.35 4.95 0.00 3.96 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.80 4.70 0.00 3.95 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.06 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.43 4.65 0.00 1.87 2.01 0.00 2.91 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 35 L 8.28 5.87 0.00 1.51 1.57 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.44 4.73 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.56 5.20 0.00 3.72 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.93 4.66 0.00 2.84 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.38 0.00 2.21 2.17 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 40 A 8.27 4.20 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 9.04 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 7.43 4.86 0.00 1.91 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 43 V 8.83 4.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 1.00 0.00 0.00 44 V 8.22 4.72 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.89 0.00 0.00 45 T 8.55 4.51 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 46 G 7.21 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 C 7.40 5.24 0.00 1.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.84 5.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.50 4.56 0.00 2.94 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 6.44 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 9.26 3.26 0.00 2.92 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.07 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 C 8.14 4.49 0.00 2.94 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.83 4.58 0.00 3.75 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 7.75 5.93 0.00 3.39 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 9.22 4.98 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.51 4.98 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.97 0.97 0.00 0.00 59 R 8.61 4.55 0.00 1.74 1.78 0.00 3.18 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 60 N 8.80 4.40 0.00 2.92 2.87 0.00 0.00 7.28 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.37 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.90 5.10 0.00 2.71 2.95 0.00 0.00 6.64 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.80 4.94 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 64 C 9.81 4.64 0.00 2.87 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 9.18 5.21 0.00 3.21 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 8.61 4.83 0.00 2.80 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.32 4.51 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.85 0.00 0.00 0.00 0.00 0.00 2.51 2.28 0.00 68 C 8.11 4.62 0.00 2.89 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.52 4.12 0.00 3.81 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.00 4.05 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.91 0.00 0.00 71 M 7.36 3.90 0.00 1.75 1.63 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 72 D 8.24 5.04 0.00 2.90 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 7.60 5.67 0.00 3.52 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 9.64 5.29 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.38 5.32 0.00 3.87 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 9.05 4.78 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.57 4.76 0.00 1.88 1.82 0.00 3.26 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 78 C 9.49 5.53 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 9.67 5.71 0.00 2.77 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.58 5.02 0.00 1.47 1.72 0.00 3.25 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 81 M 8.46 4.84 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 82 A 8.53 4.20 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.